REMARK  Name = BDB008874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.620   2.897  -0.393  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.085   3.920   0.425  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.262   4.572   1.258  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -2.435   4.262   0.418  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -3.328   3.571  -0.406  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.875   2.530  -1.231  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.506   2.220  -1.242  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.814  -0.578  -0.677  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1        2.597   0.887  -0.311  0.00  0.00    +0.120 C 
ATOM     10  N   LIG    1        1.171   1.210  -0.196  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        0.812   2.549  -0.403  0.00  0.00    +0.249 C 
ATOM     12  O   LIG    1        1.621   3.437  -0.658  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        0.390   0.314   0.662  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1        0.547  -1.144   0.244  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1        2.019  -1.552   0.199  0.00  0.00    +0.016 C 
BRANCH   8  17
ATOM     16  N   LIG    1        5.209  -0.916   0.165  0.00  0.00    -0.302 N 
ATOM     17  C   LIG    1        4.276  -0.985  -0.861  0.00  0.00    +0.220 C 
ATOM     18  O   LIG    1        4.600  -1.431  -1.970  0.00  0.00    -0.275 OA
BRANCH  16  20
ATOM     19  C   LIG    1        5.633   0.941   1.757  0.00  0.00    +0.024 C 
ATOM     20  C   LIG    1        4.999  -0.426   1.529  0.00  0.00    +0.104 C 
ENDBRANCH  16  20
BRANCH  16  21
ATOM     21  C   LIG    1        6.548  -1.449  -0.123  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1        6.620  -2.951   0.110  0.00  0.00    +0.024 C 
ENDBRANCH  16  21
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  C   LIG    1       -3.837   1.760  -2.108  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.741   0.250  -1.891  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.359  -0.366  -0.674  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1       -5.187   0.454   0.275  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1       -6.002  -0.395   1.256  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -5.163  -1.534   1.823  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -4.646  -2.442   0.707  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -4.136  -1.678  -0.484  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -3.352  -2.453  -1.479  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1       -3.123  -3.649  -1.330  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1       -2.912  -1.754  -2.569  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1       -2.373  -2.264  -3.261  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1       -3.069  -0.420  -2.779  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6